N-[(1-methylindol-3-yl)methyl]-1-benzothiophen-5-amine

C18H16N2S — CID 107235018

IUPACN-[(1-methylindol-3-yl)methyl]-1-benzothiophen-5-amine
SMILESCn1cc(CNc2ccc3sccc3c2)c2ccccc21
InChIInChI=1S/C18H16N2S/c1-20-12-14(16-4-2-3-5-17(16)20)11-19-15-6-7-18-13(10-15)8-9-21-18/h2-10,12,19H,11H2,1H3
InChIKeyLAMJVRCLDKYDIG-UHFFFAOYSA-N
MW292.41 g/mol
LogP5.01
Rot. Bonds3

About N-[(1-methylindol-3-yl)methyl]-1-benzothiophen-5-amine

N-[(1-methylindol-3-yl)methyl]-1-benzothiophen-5-amine (PubChem CID 107235018) has the molecular formula C18H16N2S and a molecular weight of 292.41 g/mol. Its IUPAC name is N-[(1-methylindol-3-yl)methyl]-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN-[(1-methylindol-3-yl)methyl]-1-benzothiophen-5-amine
PubChem CID107235018
Molecular FormulaC18H16N2S
Molecular Weight292.41 g/mol
Exact Mass292.10
IUPAC NameN-[(1-methylindol-3-yl)methyl]-1-benzothiophen-5-amine
SMILESCn1cc(CNc2ccc3sccc3c2)c2ccccc21
InChIInChI=1S/C18H16N2S/c1-20-12-14(16-4-2-3-5-17(16)20)11-19-15-6-7-18-13(10-15)8-9-21-18/h2-10,12,19H,11H2,1H3
InChIKeyLAMJVRCLDKYDIG-UHFFFAOYSA-N
XLogP5.01
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.41
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[(1-methylindol-3-yl)methylamino]phenol
CID 107236019
N-[(2-methoxyphenyl)methyl]-1-benzothiophen-5-amine
CID 43687708
4-fluoro-3-methoxy-N-[(1-methylindol-3-yl)methyl]aniline
CID 107236329
4-bromo-3,5-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline
CID 107571918
3-fluoro-5-methyl-N-[(1-methylindol-3-yl)methyl]aniline
CID 107235875
3-(methoxymethyl)-N-[(1-methylindol-3-yl)methyl]aniline
CID 107234938
3-chloro-5-fluoro-N-[(1-methylindol-3-yl)methyl]aniline
CID 107363989
N-(thiophen-2-ylmethyl)-1-benzothiophen-5-amine
CID 43687735
N-ethoxy-1-(1-methylindol-3-yl)methanamine
CID 107236064
2,4-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline
CID 107234529
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-benzothiophen-5-amine
CID 115331690
2-[(1-benzothiophen-5-ylamino)methyl]-4-methoxyphenol
CID 43687645

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindol-3-yl)methyl]-1-benzothiophen-5-amine?
The IUPAC name of N-[(1-methylindol-3-yl)methyl]-1-benzothiophen-5-amine (CID 107235018) is N-[(1-methylindol-3-yl)methyl]-1-benzothiophen-5-amine.
What is the SMILES notation for N-[(1-methylindol-3-yl)methyl]-1-benzothiophen-5-amine?
The canonical SMILES for N-[(1-methylindol-3-yl)methyl]-1-benzothiophen-5-amine is Cn1cc(CNc2ccc3sccc3c2)c2ccccc21.
What is the InChIKey of N-[(1-methylindol-3-yl)methyl]-1-benzothiophen-5-amine?
The InChIKey is LAMJVRCLDKYDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2S/c1-20-12-14(16-4-2-3-5-17(16)20)11-19-15-6-7-18-13(10-15)8-9-21-18/h2-10,12,19H,11H2,1H3.
What are the key properties of N-[(1-methylindol-3-yl)methyl]-1-benzothiophen-5-amine?
N-[(1-methylindol-3-yl)methyl]-1-benzothiophen-5-amine has a molecular weight of 292.41 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindol-3-yl)methyl]-1-benzothiophen-5-amine is sourced from PubChem (CID 107235018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).